UCSF

ZINC25201051

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 30 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.85 8.3 -25.75 0 7 0 72 408.454 5
Mid Mid (pH 6-8) 1.85 10.63 -69.84 1 7 1 73 409.462 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )